N-methyl-2-(4-{pyrazolo[1,5-a]pyridin-7-yl}-1H-pyrazol-1-yl)acetamide

• ChemBase ID: 818159
• Molecular Formular: C13H13N5O
• Molecular Mass: 255.27522
• Monoisotopic Mass: 255.11201006
• SMILES: c1(c2n3c(ccn3)ccc2)cn(nc1)CC(=O)NC
• Canonical SMILES: CNC(=O)Cn1ncc(c1)c1cccc2n1ncc2
• InChI: InChI=1S/C13H13N5O/c1-14-13(19)9-17-8-10(7-16-17)12-4-2-3-11-5-6-15-18(11)12/h2-8H,9H2,1H3,(H,14,19)
• InChIKey: XAKUQWYDLYIEOU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(4-{pyrazolo[1,5-a]pyridin-7-yl}-1H-pyrazol-1-yl)acetamide
• IUPAC Traditional name: N-methyl-2-(4-{pyrazolo[1,5-a]pyridin-7-yl}pyrazol-1-yl)acetamide
• Synonyms: N-methyl-2-(4-pyrazolo[1,5-a]pyridin-7-yl-1H-pyrazol-1-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.140201
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.3928702
• LogD (pH = 7.4): 0.39298484
• Log P: 0.3929863
• Molar Refractivity: 92.6985 cm^3
• Polarizability: 28.438883 Å^3
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.46
• LOG S: -1.46
• Polar Surface Area: 64.22 Å^2
• Rotatable Bonds: 3